N-(1-bromo-2-methylpropan-2-yl)adamantane-1-carboxamide

C15H24BrNO — CID 114307951

IUPACN-(1-bromo-2-methylpropan-2-yl)adamantane-1-carboxamide
SMILESCC(C)(CBr)NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H24BrNO/c1-14(2,9-16)17-13(18)15-6-10-3-11(7-15)5-12(4-10)8-15/h10-12H,3-9H2,1-2H3,(H,17,18)
InChIKeyQHEGAXAZLOARHK-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.49
Rot. Bonds3

About N-(1-bromo-2-methylpropan-2-yl)adamantane-1-carboxamide

N-(1-bromo-2-methylpropan-2-yl)adamantane-1-carboxamide (PubChem CID 114307951) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is N-(1-bromo-2-methylpropan-2-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylpropan-2-yl)adamantane-1-carboxamide
PubChem CID114307951
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC NameN-(1-bromo-2-methylpropan-2-yl)adamantane-1-carboxamide
SMILESCC(C)(CBr)NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H24BrNO/c1-14(2,9-16)17-13(18)15-6-10-3-11(7-15)5-12(4-10)8-15/h10-12H,3-9H2,1-2H3,(H,17,18)
InChIKeyQHEGAXAZLOARHK-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(1-adamantyl)-N-(1-bromo-2-methylpropan-2-yl)acetamide
CID 113274075
N-(2-methylbutan-2-ylcarbamothioyl)adamantane-1-carboxamide
CID 54787722
N-[3-(chloromethyl)pentan-3-yl]adamantane-1-carboxamide
CID 114304488
N-[(2-methylpropan-2-yl)oxy]adamantane-1-carboxamide
CID 10868753
N-[3-(tert-butylamino)-3-oxopropyl]adamantane-1-carboxamide
CID 51175569
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]adamantane-1-carboxamide
CID 18118534
1-(1-adamantyl)-2-bromoethanone;ethane
CID 91508009
N-(3-bromo-2-methylpropyl)adamantane-1-carboxamide
CID 113275308
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]adamantane-1-carboxamide
CID 75361888
N-(2-hydroxy-2,3-dimethylbutyl)adamantane-1-carboxamide
CID 111483676
N-[1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 3344892
N-[3-(dimethylamino)-2,2-dimethylpropyl]adamantane-1-carboxamide
CID 134008139

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-methylpropan-2-yl)adamantane-1-carboxamide?
The IUPAC name of N-(1-bromo-2-methylpropan-2-yl)adamantane-1-carboxamide (CID 114307951) is N-(1-bromo-2-methylpropan-2-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(1-bromo-2-methylpropan-2-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(1-bromo-2-methylpropan-2-yl)adamantane-1-carboxamide is CC(C)(CBr)NC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-bromo-2-methylpropan-2-yl)adamantane-1-carboxamide?
The InChIKey is QHEGAXAZLOARHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-14(2,9-16)17-13(18)15-6-10-3-11(7-15)5-12(4-10)8-15/h10-12H,3-9H2,1-2H3,(H,17,18).
What are the key properties of N-(1-bromo-2-methylpropan-2-yl)adamantane-1-carboxamide?
N-(1-bromo-2-methylpropan-2-yl)adamantane-1-carboxamide has a molecular weight of 314.27 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-methylpropan-2-yl)adamantane-1-carboxamide is sourced from PubChem (CID 114307951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).